N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide

C16H16N2O4S — CID 884926

IUPACN-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC(=S)Nc2ccccc2O)cc1
InChIInChI=1S/C16H16N2O4S/c1-21-11-6-8-12(9-7-11)22-10-15(20)18-16(23)17-13-4-2-3-5-14(13)19/h2-9,19H,10H2,1H3,(H2,17,18,20,23)
InChIKeyNHDSMRDFJQAPFY-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.29
Rot. Bonds5

About N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide

N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 884926) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID884926
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC(=S)Nc2ccccc2O)cc1
InChIInChI=1S/C16H16N2O4S/c1-21-11-6-8-12(9-7-11)22-10-15(20)18-16(23)17-13-4-2-3-5-14(13)19/h2-9,19H,10H2,1H3,(H2,17,18,20,23)
InChIKeyNHDSMRDFJQAPFY-UHFFFAOYSA-N
XLogP2.29
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylphenyl)carbamothioyl]-2-[4-[2-[(2-methylphenyl)carbamothioylamino]-2-oxoethoxy]phenoxy]acetamide
CID 3644357
N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 17100301
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 922742
2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
CID 5162446
2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 4632228
methyl 2-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoate
CID 1344218
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide
CID 922748
N-[(2-hydroxyphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 871823
2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 21212223
2-(2-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3378134
N-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide
CID 16740405
N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-2-phenoxyacetamide
CID 4629121

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide (CID 884926) is N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NC(=S)Nc2ccccc2O)cc1.
What is the InChIKey of N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is NHDSMRDFJQAPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-21-11-6-8-12(9-7-11)22-10-15(20)18-16(23)17-13-4-2-3-5-14(13)19/h2-9,19H,10H2,1H3,(H2,17,18,20,23).
What are the key properties of N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide?
N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 332.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 884926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).